3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine
TL;DR: 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine (CAS 613227-43-3) is a chemical compound with molecular formula C24H24N4OS and molecular weight 416.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine, 3-[5-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine, 3-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine, 3-{5-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine, 1-{3-[(2,5-dimethylphenyl)methylthio]-5-(3-pyridyl)(1,2,4-triazol-4-yl)}-4-eth oxybenzene
| Molecular Formula | C24H24N4OS |
|---|---|
| Molecular Weight | 416.17 g/mol |
| LogP | 5.63714 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.16708 |
| Heavy Atoms | 30 |
| Complexity | 1123.9185 |
Chemical Identifiers
| CAS Number | 613227-43-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC(=C3)C)C)C4=CN=CC=C4 |
Product Overview
3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine (CAS 613227-43-3), with molecular formula C24H24N4OS and molecular weight 416.17 g/mol. IUPAC: 3-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine
Property Insights of 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine
The XLogP value of 5.63714 indicates that 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.83 Ų, 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine?
The CAS number of 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine is 613227-43-3.
What is the molecular formula of 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine?
The molecular formula of 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine is C24H24N4OS.
What is the molecular weight of 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine?
The molecular weight of 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine is 416.17 g/mol.
Where can I buy 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine?
You can request a quote for 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-((2,5-dimethylbenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.